CID 2051423

717904-42-2

Structural Information

Molecular Formula
C9H16N2O4
SMILES
C1CN(CCN1CCO)C(=O)CC(=O)O
InChI
InChI=1S/C9H16N2O4/c12-6-5-10-1-3-11(4-2-10)8(13)7-9(14)15/h12H,1-7H2,(H,14,15)
InChIKey
XLHYKWPNPDXNFG-UHFFFAOYSA-N
Compound name
3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11101 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11829 148.9
[M+Na]+ 239.10023 153.3
[M-H]- 215.10373 146.1
[M+NH4]+ 234.14483 163.0
[M+K]+ 255.07417 151.9
[M+H-H2O]+ 199.10827 141.8
[M+HCOO]- 261.10921 162.8
[M+CH3COO]- 275.12486 181.5
[M+Na-2H]- 237.08568 150.1
[M]+ 216.11046 145.3
[M]- 216.11156 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.